CID 21777

Mefenorex

Structural Information

Molecular Formula

C₁₂H₁₈ClN

SMILES

CC(CC1=CC=CC=C1)NCCCCl

InChI

InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3

InChIKey

XXVROGAVTTXONC-UHFFFAOYSA-N

Compound name

N-(3-chloropropyl)-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 3817
Patents: 211.11278 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.120056	149.0
[M+Na]+	234.101998	154.8
[M-H]-	210.105504	151.7
[M+NH4]+	229.146603	168.2
[M+K]+	250.075938	150.4
[M+H-H2O]+	194.110040	143.3
[M+HCOO]-	256.110981	168.0
[M+CH3COO]-	270.126631	189.9
[M+Na-2H]-	232.087446	154.1
[M]+	211.11223142	150.6
[M]-	211.11332858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe